Vitas-M small molecule compound

methyl 3-(6-{[(2-fluorophenyl)sulfanyl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3-hydroxyphenyl)propanoate

Catalog ID
STL313652
SMILES COC(=O)CC(c1oc(CSc2ccccc2F)cc(=O)c1O)c1cccc(c1)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C22H19FO6S MW 430.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FO6S/c1-28-20(26)11-16(13-5-4-6-14(24)9-13)22-21(27)18(25)10-15(29-22)12-30-19-8-3-2-7-17(19)23/h2-10,16,24,27H,11-12H2,1H3
InChIKey
HXRGDHKFVMYEJO-UHFFFAOYSA-N
Synonyms
1435989-56-2
1435989562
COC(=O)CC(C1=CC(=CC=C1)O)C2=C(C(=O)C=C(O2)CSC3=CC=CC=C3F)O
InChI=1SC22H19FO6Sc12820(26)1116(1354614(24)913)2221(27)18(25)1015(2922)123019832717(19)23h210162427H1112H21H3
methyl3(6(((2fluorophenyl)sulfanyl)methyl)3hydroxy4oxo4Hpyran2yl)3(3hydroxyphenyl)propanoate
methyl3(6(((2fluorophenyl)thio)methyl)3hydroxy4oxo4Hpyran2yl)3(3hydroxyphenyl)propanoate
methyl3(6((2fluorophenyl)sulfanylmethyl)3hydroxy4oxopyran2yl)3(3hydroxyphenyl)propanoate
MFCD23140243
ZINC000095475716
ZINC000095475717

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Available files

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